methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate

Systemtic Name: methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate Openeye Name: methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate CAS Name: (2S)-4-[anilino(oxo)methyl]-1-methylsulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate Traditional Name: (2S)-1-mesyl-4-(phenylcarbamoyl)piperazine-2-carboxylic acid methyl ester Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1S(=O)(=O)C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1S(=O)(=O)C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C14H19N3O5S/c1-22-13(18)12-10-16(8-9-17(12)23(2,20)21)14(19)15-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,15,19)/t12-/m0/s1